4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide

C11H13BrN4O — CID 63565030

IUPAC4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13BrN4O/c1-2-5-16-7-8(12)6-9(16)10(17)15-11-13-3-4-14-11/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,17)
InChIKeyKYJXIHQVQSTLAA-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.64
Rot. Bonds4

About 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 63565030) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID63565030
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13BrN4O/c1-2-5-16-7-8(12)6-9(16)10(17)15-11-13-3-4-14-11/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,17)
InChIKeyKYJXIHQVQSTLAA-UHFFFAOYSA-N
XLogP2.64
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63562551
N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63564838
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 43641337
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60783539
4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641258
4-bromo-1-propyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60956374
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide
CID 107857541
4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 60968792
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 54877600
4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide
CID 83017011
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide (CID 63565030) is 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is KYJXIHQVQSTLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-2-5-16-7-8(12)6-9(16)10(17)15-11-13-3-4-14-11/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 297.16 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 63565030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).